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Record W1698015492 · doi:10.1107/s1600536802021608

(1<i>R</i>*,2<i>R</i>*)-2-(Methylphenylamino)-1,2-dihydronaphthalen-1-ol–water (4/1)

2002· article· en· W1698015492 on OpenAlexaff
Keith Fagnou, Mark Lautens, Alan J. Lough

Bibliographic record

VenueActa Crystallographica Section E Structure Reports Online · 2002
Typearticle
Languageen
FieldChemistry
TopicCrystal structures of chemical compounds
Canadian institutionsUniversity of Toronto
Fundersnot available
KeywordsHydrogen bondUnit (ring theory)CrystallographyHydrogenChemistryRing (chemistry)StereochemistryMoleculeMathematicsOrganic chemistry

Abstract

fetched live from OpenAlex

The asymmetric unit of the title compound, 4C17H17NO·H2O, contains four independent naphthalenol mol­ecules and one mol­ecule of water. All of the mol­ecules in the asymmetric unit are connected into a contiguous row via O—H⋯O hydrogen bonds. This unique hydrogen-bonded row is, in turn, linked to form extended O—H⋯O hydrogen-bonded chains, through unit-cell translations in the a direction. The hydrogen-bonding motif also contains an O(water)—H⋯π(arene) weak hydrogen bond, with an H⋯Cg distance of 2.64 (4) Å (where Cg is the center of gravity of the phenyl ring).

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Insufficient payload (model declined to judge)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.980
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0000.001
Science and technology studies0.0000.001
Scholarly communication0.0000.001
Open science0.0010.000
Research integrity0.0010.002
Insufficient payload (model declined to judge)0.0210.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.010
GPT teacher head0.219
Teacher spread0.209 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations0
Published2002
Admission routes1
Has abstractyes

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